4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide

C14H15ClN2O2 — CID 55184889

IUPAC4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c1-9(8-19-2)16-14(18)13-7-11(15)10-5-3-4-6-12(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyCCODRMVWTVIQDK-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide

4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide (PubChem CID 55184889) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
PubChem CID55184889
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c1-9(8-19-2)16-14(18)13-7-11(15)10-5-3-4-6-12(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyCCODRMVWTVIQDK-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
4-methylpentan-2-yl 4-chloroquinoline-2-carboxylate
CID 63839691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide (CID 55184889) is 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide is COCC(C)NC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide?
The InChIKey is CCODRMVWTVIQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(8-19-2)16-14(18)13-7-11(15)10-5-3-4-6-12(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide?
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 55184889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).